N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline

C17H19BrFN — CID 82961349

IUPACN-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NC(C)c1ccc(Br)cc1F
InChIInChI=1S/C17H19BrFN/c1-11(2)14-6-4-5-7-17(14)20-12(3)15-9-8-13(18)10-16(15)19/h4-12,20H,1-3H3
InChIKeyDSOATAWHKBHGMM-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.88
Rot. Bonds4

About N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline

N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline (PubChem CID 82961349) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
PubChem CID82961349
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NC(C)c1ccc(Br)cc1F
InChIInChI=1S/C17H19BrFN/c1-11(2)14-6-4-5-7-17(14)20-12(3)15-9-8-13(18)10-16(15)19/h4-12,20H,1-3H3
InChIKeyDSOATAWHKBHGMM-UHFFFAOYSA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline
CID 82962050
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-nitroaniline
CID 82963521
N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine
CID 82964453
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102849008
2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43194501
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-4-methylaniline
CID 82963042
4-bromo-2-[1-(4-bromo-2-fluorophenyl)ethylamino]benzonitrile
CID 107797536
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-iodoaniline
CID 82962732
5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile
CID 82708478
4-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile
CID 114901600

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline (CID 82961349) is N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline is CC(C)c1ccccc1NC(C)c1ccc(Br)cc1F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline?
The InChIKey is DSOATAWHKBHGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-11(2)14-6-4-5-7-17(14)20-12(3)15-9-8-13(18)10-16(15)19/h4-12,20H,1-3H3.
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline?
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline has a molecular weight of 336.25 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline is sourced from PubChem (CID 82961349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).